4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide

C21H17F2N5O3 — CID 138587059

IUPAC4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
SMILESCn1ncc(-c2cc3cc(NC(=O)c4ccc(OC(F)F)cc4)ncc3cn2)c1CO
InChIInChI=1S/C21H17F2N5O3/c1-28-18(11-29)16(10-26-28)17-6-13-7-19(25-9-14(13)8-24-17)27-20(30)12-2-4-15(5-3-12)31-21(22)23/h2-10,21,29H,11H2,1H3,(H,25,27,30)
InChIKeySWKQFCHJHCZFID-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.38
Rot. Bonds6

About 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide

4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide (PubChem CID 138587059) has the molecular formula C21H17F2N5O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
PubChem CID138587059
Molecular FormulaC21H17F2N5O3
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC Name4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
SMILESCn1ncc(-c2cc3cc(NC(=O)c4ccc(OC(F)F)cc4)ncc3cn2)c1CO
InChIInChI=1S/C21H17F2N5O3/c1-28-18(11-29)16(10-26-28)17-6-13-7-19(25-9-14(13)8-24-17)27-20(30)12-2-4-15(5-3-12)31-21(22)23/h2-10,21,29H,11H2,1H3,(H,25,27,30)
InChIKeySWKQFCHJHCZFID-UHFFFAOYSA-N
XLogP3.38
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[6-[1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138588716
N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide
CID 160845626
4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
CID 138587038
N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-cyclohexyloxybenzamide
CID 158199774
4-methyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide
CID 157330399
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174
4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide
CID 138590649
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281
4-(1-fluoroethoxy)-N-(6-penta-1,3,4-trien-2-ylisoquinolin-3-yl)benzamide
CID 176547335
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide
CID 145392365
1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
CID 138588479
(3S)-3-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]butan-1-one
CID 153100848

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide (CID 138587059) is 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide is Cn1ncc(-c2cc3cc(NC(=O)c4ccc(OC(F)F)cc4)ncc3cn2)c1CO.
What is the InChIKey of 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide?
The InChIKey is SWKQFCHJHCZFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O3/c1-28-18(11-29)16(10-26-28)17-6-13-7-19(25-9-14(13)8-24-17)27-20(30)12-2-4-15(5-3-12)31-21(22)23/h2-10,21,29H,11H2,1H3,(H,25,27,30).
What are the key properties of 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide?
4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide has a molecular weight of 425.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide is sourced from PubChem (CID 138587059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).